inchi

There are 0 repository under inchi topic.

• epam / Indigo

  Universal cheminformatics toolkit, utilities and database search tools

  bingocheminformaticschemistrydotnetinchiindigojavamicrosoft-sql-servermolfileoraclepostgresqlpythonsmartssmileswebassembly
  Language:C++ 282

• sebotic / cdk_pywrapper

  A Python wrapper for the Chemistry Development Kit (CDK)

  chemistryinchicdkpython-wrapperchemistry-development-kitpython3
  Language:Python 29

• longemen3000 / ChemicalIdentifiers.jl

  chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search

  smilescasinchiidentifiersinchi-keychemical-identifierspubchemchemistrychemoinformatics
  Language:Julia 16

• bioclipse / bioclipse.cheminformatics

  Bioclipse Cheminformatics Feature

  bioclipsejavachemistrycdkjchempaintjmolinchicmlopsinchemspiderpubchem
  Language:Java 10

• NIVANorge / chemspiderapi

  R functionalites for ChemSpider's new API services

  chemspiderrapi-wrappergetpostinchiinchikeysmileschemical-informationcas-numberr-packagetidyverse
  Language:R 5

• Goodman-lab / InChiMarkush

  A tool to deconstruct MarkInChi codes. It only understands a small subset of a draft of a MarkInChI syntax, and does not make use of the pseudo-element facility (Zz) of InChI v1.06

  pythonchemistryinchiinchi-key
  Language:Python 1

• MSI-Metabolomics-Standards-Initiative / inchi-isotopologue-extension

  specification extension to InChi to better support isotopologue reporting

  inchiinchi-standardinchi-string
  1

• Goodman-lab / InChiQRCodes

  A website which converts an InChI key for a chemical into a QR code which directs to its relevant PubChem page

  chemistrypythonqrcode-generatorinchi-keyinchi
  Language:HTML 0

• manufac-analytics / inchi

  InChI for NodeJS/TypeScript

  inchiinchi-keyinchi-standardiupacnisttypescriptnodejsjavascriptcheminformaticschemistry
  Language:TypeScript 0